Bromine in PDB 1dn4: Solvation of the Left-Handed Hexamer D(5BRC-G-5BRC-G-5BRC-G) in Crystals Grown at Two Temperatures

The structure of Solvation of the Left-Handed Hexamer D(5BRC-G-5BRC-G-5BRC-G) in Crystals Grown at Two Temperatures, PDB code: 1dn4 was solved by B.Chevrier, A.C.Dock, B.Hartmann, M.Leng, D.Moras, M.T.Thuong, E.Westhof, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	10.00 / 1.60
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	18.010, 30.880, 44.760, 90.00, 90.00, 90.00
R / Rfree (%)	n/a / n/a

The binding sites of Bromine atom in the Solvation of the Left-Handed Hexamer D(5BRC-G-5BRC-G-5BRC-G) in Crystals Grown at Two Temperatures (pdb code 1dn4). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 6 binding sites of Bromine where determined in the Solvation of the Left-Handed Hexamer D(5BRC-G-5BRC-G-5BRC-G) in Crystals Grown at Two Temperatures, PDB code: 1dn4:
Jump to Bromine binding site number: 1; 2; 3; 4; 5; 6;

Bromine binding site 1 out of 6 in the Solvation of the Left-Handed Hexamer D(5BRC-G-5BRC-G-5BRC-G) in Crystals Grown at Two Temperatures


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Solvation of the Left-Handed Hexamer D(5BRC-G-5BRC-G-5BRC-G) in Crystals Grown at Two Temperatures within 5.0Å range: probe atom residue distance (Å) B Occ A:Br1 b:9.5 occ:1.00 BR A:CBR1 0.0 9.5 1.0 C5 A:CBR1 1.8 6.7 1.0 C4 A:CBR1 2.8 2.6 1.0 C6 A:CBR1 2.8 5.5 1.0 N4 A:CBR1 3.0 2.0 1.0 N4 B:CBR11 3.5 4.5 1.0 O A:HOH42 3.9 8.4 1.0 N3 A:CBR1 4.0 7.1 1.0 N1 A:CBR1 4.0 10.1 1.0 C4 B:CBR11 4.1 2.3 1.0 O B:HOH15 4.2 17.2 1.0 O A:HOH59 4.3 7.6 0.5 BR B:CBR11 4.4 8.2 1.0 C2 A:CBR1 4.6 7.2 1.0 C5 B:CBR11 4.7 2.4 1.0 N3 B:CBR11 4.8 3.1 1.0 O6 A:DG2 4.8 9.6 1.0

Bromine binding site 2 out of 6 in the Solvation of the Left-Handed Hexamer D(5BRC-G-5BRC-G-5BRC-G) in Crystals Grown at Two Temperatures


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Solvation of the Left-Handed Hexamer D(5BRC-G-5BRC-G-5BRC-G) in Crystals Grown at Two Temperatures within 5.0Å range: probe atom residue distance (Å) B Occ A:Br3 b:11.6 occ:1.00 BR A:CBR3 0.0 11.6 1.0 C5 A:CBR3 1.7 4.8 1.0 C6 A:CBR3 2.7 2.0 1.0 C4 A:CBR3 2.8 2.2 1.0 N4 A:CBR3 3.2 2.2 1.0 N9 A:DG2 3.6 13.0 1.0 O A:HOH29 3.6 38.0 1.0 O A:HOH61 3.6 20.3 1.0 N4 B:CBR9 3.7 2.0 1.0 C8 A:DG2 3.8 2.9 1.0 C4 A:DG2 3.8 11.0 1.0 C2' A:DG2 3.9 5.3 1.0 N3 A:CBR3 3.9 6.1 1.0 N1 A:CBR3 3.9 2.8 1.0 O A:HOH71 4.0 30.1 1.0 C5 A:DG2 4.0 5.7 1.0 N7 A:DG2 4.1 10.3 1.0 C1' A:DG2 4.2 6.6 1.0 O6 A:DG4 4.3 6.4 1.0 O A:HOH20 4.3 29.2 0.9 C4 B:CBR9 4.3 5.7 1.0 N3 A:DG2 4.3 4.0 1.0 C2 A:CBR3 4.5 7.6 1.0 C6 A:DG2 4.8 3.9 1.0 C3' A:DG2 4.9 8.4 1.0 N3 B:CBR9 4.9 2.5 1.0 C5 B:CBR9 5.0 2.1 1.0 BR B:CBR9 5.0 11.2 1.0 C2 A:DG2 5.0 7.2 1.0

Bromine binding site 3 out of 6 in the Solvation of the Left-Handed Hexamer D(5BRC-G-5BRC-G-5BRC-G) in Crystals Grown at Two Temperatures


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of Solvation of the Left-Handed Hexamer D(5BRC-G-5BRC-G-5BRC-G) in Crystals Grown at Two Temperatures within 5.0Å range: probe atom residue distance (Å) B Occ A:Br5 b:9.6 occ:1.00 BR A:CBR5 0.0 9.6 1.0 C5 A:CBR5 1.8 12.3 1.0 C4 A:CBR5 2.8 8.7 1.0 C6 A:CBR5 2.8 2.2 1.0 N4 A:CBR5 3.0 4.2 1.0 O B:HOH60 3.6 19.9 0.9 N4 B:CBR7 3.7 2.0 1.0 N9 A:DG4 3.8 4.0 1.0 C2' A:DG4 4.0 4.9 1.0 C4 A:DG4 4.0 10.6 1.0 N3 A:CBR5 4.0 2.0 1.0 O A:HOH16 4.0 16.2 1.0 C8 A:DG4 4.1 5.9 1.0 N1 A:CBR5 4.1 4.4 1.0 C5 A:DG4 4.1 11.0 1.0 N7 A:DG4 4.2 2.0 1.0 C4 B:CBR7 4.3 6.2 1.0 C1' A:DG4 4.4 2.1 1.0 N3 A:DG4 4.6 5.6 1.0 C2 A:CBR5 4.6 7.7 1.0 BR B:CBR7 4.7 10.6 1.0 O6 A:DG6 4.8 2.9 1.0 C5 B:CBR7 4.8 4.9 1.0 C6 A:DG4 4.8 9.6 1.0

Bromine binding site 4 out of 6 in the Solvation of the Left-Handed Hexamer D(5BRC-G-5BRC-G-5BRC-G) in Crystals Grown at Two Temperatures


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 4 of Solvation of the Left-Handed Hexamer D(5BRC-G-5BRC-G-5BRC-G) in Crystals Grown at Two Temperatures within 5.0Å range: probe atom residue distance (Å) B Occ B:Br7 b:10.6 occ:1.00 BR B:CBR7 0.0 10.6 1.0 C5 B:CBR7 1.8 4.9 1.0 C6 B:CBR7 2.8 4.7 1.0 C4 B:CBR7 2.8 6.2 1.0 N4 B:CBR7 3.0 2.0 1.0 N4 A:CBR5 3.6 4.2 1.0 O B:HOH60 3.8 19.9 0.9 N1 B:CBR7 4.0 3.0 1.0 N3 B:CBR7 4.0 9.4 1.0 C4 A:CBR5 4.2 8.7 1.0 O B:HOH66 4.4 17.5 0.8 C2 B:CBR7 4.6 9.2 1.0 O6 B:DG8 4.6 4.1 1.0 BR A:CBR5 4.7 9.6 1.0 C5 A:CBR5 4.7 12.3 1.0 N3 A:CBR5 4.9 2.0 1.0 O B:HOH57 4.9 32.1 0.9

Bromine binding site 5 out of 6 in the Solvation of the Left-Handed Hexamer D(5BRC-G-5BRC-G-5BRC-G) in Crystals Grown at Two Temperatures


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 5 of Solvation of the Left-Handed Hexamer D(5BRC-G-5BRC-G-5BRC-G) in Crystals Grown at Two Temperatures within 5.0Å range: probe atom residue distance (Å) B Occ B:Br9 b:11.2 occ:1.00 BR B:CBR9 0.0 11.2 1.0 C5 B:CBR9 1.8 2.1 1.0 C6 B:CBR9 2.8 3.9 1.0 C4 B:CBR9 2.8 5.7 1.0 N4 B:CBR9 3.1 2.0 1.0 N4 A:CBR3 3.6 2.2 1.0 N9 B:DG8 3.7 4.2 1.0 C2' B:DG8 3.7 2.0 1.0 C4 B:DG8 3.8 6.7 1.0 C8 B:DG8 3.9 4.3 1.0 C5 B:DG8 4.0 4.9 1.0 N1 B:CBR9 4.0 4.5 1.0 C1' B:DG8 4.1 2.2 1.0 O6 B:DG10 4.1 6.8 1.0 N3 B:CBR9 4.1 2.5 1.0 O A:HOH61 4.2 20.3 1.0 N7 B:DG8 4.2 6.8 1.0 C4 A:CBR3 4.2 2.2 1.0 N3 B:DG8 4.3 9.4 1.0 C2 B:CBR9 4.6 2.9 1.0 C6 B:DG8 4.8 2.0 1.0 C3' B:DG8 4.9 2.0 1.0 N3 A:CBR3 4.9 6.1 1.0 C5 A:CBR3 4.9 4.8 1.0 C6 B:DG10 4.9 6.6 1.0 C2 B:DG8 4.9 6.8 1.0 BR A:CBR3 5.0 11.6 1.0

Bromine binding site 6 out of 6 in the Solvation of the Left-Handed Hexamer D(5BRC-G-5BRC-G-5BRC-G) in Crystals Grown at Two Temperatures


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 6 of Solvation of the Left-Handed Hexamer D(5BRC-G-5BRC-G-5BRC-G) in Crystals Grown at Two Temperatures within 5.0Å range: probe atom residue distance (Å) B Occ B:Br11 b:8.2 occ:1.00 BR B:CBR11 0.0 8.2 1.0 C5 B:CBR11 1.8 2.4 1.0 C4 B:CBR11 2.8 2.3 1.0 C6 B:CBR11 2.8 2.0 1.0 N4 B:CBR11 3.1 4.5 1.0 N9 B:DG10 3.6 6.3 1.0 N4 A:CBR1 3.7 2.0 1.0 C2' B:DG10 3.7 2.0 1.0 C8 B:DG10 4.0 6.2 1.0 C4 B:DG10 4.0 17.3 1.0 N3 B:CBR11 4.0 3.1 1.0 N1 B:CBR11 4.1 4.8 1.0 C1' B:DG10 4.1 2.0 1.0 C4 A:CBR1 4.2 2.6 1.0 N7 B:DG10 4.3 14.3 1.0 C5 B:DG10 4.3 15.9 1.0 O B:HOH15 4.3 17.2 1.0 BR A:CBR1 4.4 9.5 1.0 C5 A:CBR1 4.5 6.7 1.0 N3 B:DG10 4.6 7.7 1.0 C2 B:CBR11 4.6 3.1 1.0 O6 B:DG12 4.7 6.7 1.0 N3 A:CBR1 4.9 7.1 1.0 C3' B:DG10 5.0 2.0 1.0

B.Chevrier, A.C.Dock, B.Hartmann, M.Leng, D.Moras, M.T.Thuong, E.Westhof. Solvation of the Left-Handed Hexamer D(5BRC-G-5BRC-G-5 Brc-G) in Crystals Grown at Two Temperatures. J.Mol.Biol. V. 188 707 1986.
ISSN: ISSN 0022-2836
PubMed: 3735433
DOI: 10.1016/S0022-2836(86)80016-X